4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(1H-benzimidazol-2-yl)-7-chloranyl-6-iodanyl-1H-quinolin-2-one

Systemtic Name: 4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(1H-benzimidazol-2-yl)-7-chloranyl-6-iodanyl-1H-quinolin-2-one Openeye Name: 3-(1H-benzimidazol-2-yl)-7-chloro-6-iodo-4-(quinuclidin-3-ylamino)-1H-quinolin-2-one CAS Name: 4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(1H-benzimidazol-2-yl)-7-chloro-6-iodo-1H-quinolin-2-one IUPAC Name: 4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(1H-benzimidazol-2-yl)-7-chloro-6-iodo-1H-quinolin-2-one Traditional Name: 3-(1H-benzimidazol-2-yl)-7-chloro-6-iodo-4-(quinuclidin-3-ylamino)carbostyril Formula: C23H21ClIN5O MolecularWeight: 545.80321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC3=C(C(=O)NC4=CC(=C(C=C43)I)Cl)C5=NC6=CC=CC=C6N5

Isomeric SMILES

C1CN2CCC1C(C2)NC3=C(C(=O)NC4=CC(=C(C=C43)I)Cl)C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C23H21ClIN5O/c24-14-10-18-13(9-15(14)25)21(26-19-11-30-7-5-12(19)6-8-30)20(23(31)29-18)22-27-16-3-1-2-4-17(16)28-22/h1-4,9-10,12,19H,5-8,11H2,(H,27,28)(H2,26,29,31)